REMARK  Name = BDB050782
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.556  -1.510   2.166  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1       -0.885  -2.754   2.534  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -1.793  -3.390   1.791  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -2.390  -2.818   0.661  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -3.361  -3.559  -0.064  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -3.712  -4.850   0.325  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.105  -5.413   1.438  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.961  -1.514   0.351  0.00  0.00    +0.136 A 
ATOM      9  C   LIG    1       -2.159  -4.680   2.158  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -1.073  -0.860   1.118  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1       -2.474  -0.868  -0.812  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1       -2.393  -1.500  -1.603  0.00  0.00    +0.155 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -2.387   0.471  -1.030  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1       -2.355   0.990  -2.297  0.00  0.00    -0.264 N 
ATOM     15  H   LIG    1       -2.381   0.488  -3.175  0.00  0.00    +0.190 HD
ATOM     16  N   LIG    1       -2.265   2.332  -2.338  0.00  0.00    -0.178 NA
ATOM     17  C   LIG    1       -2.261   2.688  -1.048  0.00  0.00    +0.062 A 
ATOM     18  C   LIG    1       -2.180   4.118  -0.667  0.00  0.00    +0.067 C 
ATOM     19  C   LIG    1       -2.343   1.564  -0.196  0.00  0.00    +0.068 A 
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  20
ATOM     20  S   LIG    1        0.654  -0.666   3.164  0.00  0.00    -0.050 S 
BRANCH  20  24
ATOM     21  C   LIG    1        3.132   1.407  -0.112  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        1.970   2.006   0.389  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1        1.224   1.386   1.395  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1        1.618   0.147   1.905  0.00  0.00    +0.016 A 
ATOM     25  C   LIG    1        2.785  -0.446   1.419  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        3.537   0.180   0.416  0.00  0.00    +0.024 A 
BRANCH  21  29
ATOM     27  C   LIG    1        5.415   2.705  -2.819  0.00  0.00    +0.109 C 
ATOM     28  C   LIG    1        4.979   1.703  -1.779  0.00  0.00    +0.214 C 
ATOM     29  N   LIG    1        3.821   2.094  -1.133  0.00  0.00    -0.286 N 
ATOM     30  H   LIG    1        3.410   2.971  -1.426  0.00  0.00    +0.155 HD
ATOM     31  O   LIG    1        5.639   0.692  -1.568  0.00  0.00    -0.276 OA
ENDBRANCH  21  29
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 5